2,4-dichloro-6-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]phenol

C17H13Cl2NO3 — CID 137193908

IUPAC2,4-dichloro-6-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]phenol
SMILESCOc1ccc(-c2noc(-c3cc(Cl)cc(Cl)c3O)c2C)cc1
InChIInChI=1S/C17H13Cl2NO3/c1-9-15(10-3-5-12(22-2)6-4-10)20-23-17(9)13-7-11(18)8-14(19)16(13)21/h3-8,21H,1-2H3
InChIKeyMYOBCHZNRZLYCI-UHFFFAOYSA-N
MW350.20 g/mol
LogP5.34
Rot. Bonds3

About 2,4-dichloro-6-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]phenol

2,4-dichloro-6-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]phenol (PubChem CID 137193908) has the molecular formula C17H13Cl2NO3 and a molecular weight of 350.20 g/mol. Its IUPAC name is 2,4-dichloro-6-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]phenol
PubChem CID137193908
Molecular FormulaC17H13Cl2NO3
Molecular Weight350.20 g/mol
Exact Mass349.03
IUPAC Name2,4-dichloro-6-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]phenol
SMILESCOc1ccc(-c2noc(-c3cc(Cl)cc(Cl)c3O)c2C)cc1
InChIInChI=1S/C17H13Cl2NO3/c1-9-15(10-3-5-12(22-2)6-4-10)20-23-17(9)13-7-11(18)8-14(19)16(13)21/h3-8,21H,1-2H3
InChIKeyMYOBCHZNRZLYCI-UHFFFAOYSA-N
XLogP5.34
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.20
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol
CID 143777991
4-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol
CID 135855800
4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole
CID 131867696
3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 11290188
2,4-dichloro-6-(3,4-dimethylphenyl)phenol
CID 82107036
4-[3-(4-hydroxyphenyl)-4-methyl-1,2-oxazol-5-yl]phenol
CID 135855834
4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]-6-methylbenzene-1,3-diol
CID 136602125
[5-(4-methoxyphenyl)-4-methyl-1,2-oxazol-3-yl]methanol
CID 54846669
7,8-dimethoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole
CID 90677089
3-chloro-2,5,6-tris(4-methoxyphenyl)pyridine
CID 122233245
4-methyl-3,5-bis(4-methylphenyl)-1,2-oxazole
CID 19585809
2-chloro-N-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]acetamide
CID 13362983

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]phenol?
The IUPAC name of 2,4-dichloro-6-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]phenol (CID 137193908) is 2,4-dichloro-6-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]phenol?
The canonical SMILES for 2,4-dichloro-6-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]phenol is COc1ccc(-c2noc(-c3cc(Cl)cc(Cl)c3O)c2C)cc1.
What is the InChIKey of 2,4-dichloro-6-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]phenol?
The InChIKey is MYOBCHZNRZLYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO3/c1-9-15(10-3-5-12(22-2)6-4-10)20-23-17(9)13-7-11(18)8-14(19)16(13)21/h3-8,21H,1-2H3.
What are the key properties of 2,4-dichloro-6-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]phenol?
2,4-dichloro-6-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]phenol has a molecular weight of 350.20 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]phenol is sourced from PubChem (CID 137193908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).